3-ethoxy-1-methoxy-3-methylpentane

C9H20O2 — CID 89416461

IUPAC3-ethoxy-1-methoxy-3-methylpentane
SMILESCCOC(C)(CC)CCOC
InChIInChI=1S/C9H20O2/c1-5-9(3,11-6-2)7-8-10-4/h5-8H2,1-4H3
InChIKeyDPEDNQHIPFBFGO-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.23
Rot. Bonds6

About 3-ethoxy-1-methoxy-3-methylpentane

3-ethoxy-1-methoxy-3-methylpentane (PubChem CID 89416461) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-ethoxy-1-methoxy-3-methylpentane.

Molecular Properties

Compound Name3-ethoxy-1-methoxy-3-methylpentane
PubChem CID89416461
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3-ethoxy-1-methoxy-3-methylpentane
SMILESCCOC(C)(CC)CCOC
InChIInChI=1S/C9H20O2/c1-5-9(3,11-6-2)7-8-10-4/h5-8H2,1-4H3
InChIKeyDPEDNQHIPFBFGO-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-methoxy-3-methylpentane?
The IUPAC name of 3-ethoxy-1-methoxy-3-methylpentane (CID 89416461) is 3-ethoxy-1-methoxy-3-methylpentane.
What is the SMILES notation for 3-ethoxy-1-methoxy-3-methylpentane?
The canonical SMILES for 3-ethoxy-1-methoxy-3-methylpentane is CCOC(C)(CC)CCOC.
What is the InChIKey of 3-ethoxy-1-methoxy-3-methylpentane?
The InChIKey is DPEDNQHIPFBFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-5-9(3,11-6-2)7-8-10-4/h5-8H2,1-4H3.
What are the key properties of 3-ethoxy-1-methoxy-3-methylpentane?
3-ethoxy-1-methoxy-3-methylpentane has a molecular weight of 160.26 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-methoxy-3-methylpentane is sourced from PubChem (CID 89416461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).